(E)-2-(((4-HYDROXYPHENYL)IMINO)METHYL)PHENOL

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Synonyms
Molecule Category Free-form
Source Gaulton A, Kale N, van Westen GJ, Bellis LJ, Bento AP, Davies M, Hersey A, Papadatos G, Forster M, Wege P, Overington JP. A large-scale crop protection bioassay data set. Sci Data. 2015 Jul 7;2:150032. Read more ...

Structure

InChI Key POLJRSQMPKDDIY-NTEUORMPSA-N
Smiles Oc1ccc(cc1)\N=C\c2ccccc2O
InChI
InChI=1S/C13H11NO2/c15-12-7-5-11(6-8-12)14-9-10-3-1-2-4-13(10)16/h1-9,15-16H/b14-9+

Physicochemical Descriptors

Property Name Value
Molecular Formula C13H11NO2
Molecular Weight 213.23
AlogP 2.94
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 52.82
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 16.0

Cross References

Resources Reference
ChEMBL CHEMBL2064676
SureChEMBL SCHEMBL10620536
ZINC ZINC13302596
CONTENTS